[gmx-users] DSSP configuration in Gromacs 4.5.5
Mark.Abraham at anu.edu.au
Wed May 16 09:02:58 CEST 2012
On 16/05/2012 4:54 PM, Sathish wrote:
> Dear all,
> How to install DSSP in Gromacs 4.5.5.
> i set environmental variable "export DSSP=/usr/local/bin/dssp" and
> I have refereed many posts related to dssp issue and tried with new
> and old dssp executable but confused.
> While running i got error " Segmentation fault".
> Help me to solve this problem.
There's really nothing much that can be said beyond what is in do_dssp
-h. If the above environment variable points to a valid old-style DSSP
executable (does it? does it run?) then do_dssp should work.
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